8-[[4-[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[1-methyl-2-(3-methylanilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[1-(3-methylanilino)-1-oxopropan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[1-(3-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-keto-1-methyl-2-(m-toluidino)ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C28H24N2O4S MolecularWeight: 484.56616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C28H24N2O4S/c1-17-6-3-9-21(16-17)30-26(31)18(2)35-22-14-12-20(13-15-22)29-27(32)23-10-4-7-19-8-5-11-24(25(19)23)28(33)34/h3-16,18H,1-2H3,(H,29,32)(H,30,31)(H,33,34)